CHEBI:15994 - 5α-androstane-3,17-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α-androstane-3,17-dione
ChEBI ID CHEBI:15994
ChEBI ASCII Name 5alpha-androstane-3,17-dione
Definition The 5α-stereoisomer of androstane-3,17-dione.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12168, CHEBI:40140, CHEBI:2137, CHEBI:20639
Supplier Information ChemicalBook:CB91236269, eMolecules:31239572, eMolecules:31225710, ZINC000005965908
Download Molfile XML SDF
Formula C19H28O2
Net Charge 0
Average Mass 288.42442
Monoisotopic Mass 288.20893
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKey RAJWOBJTTGJROA-WZNAKSSCSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via androstane-3,17-dione )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5α-androstane-3,17-dione (CHEBI:15994) has role mouse metabolite (CHEBI:75771)
5α-androstane-3,17-dione (CHEBI:15994) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-androstane-3,17-dione (CHEBI:15994) is a androstane-3,17-dione (CHEBI:22542)
Synonyms Sources
5α-androstan-3,17-dione UniProt
5alpha-androstane-3,17-dione ChEBI
5alpha-Androstane-3,17-dione KEGG COMPOUND
Androstanedione KEGG COMPOUND
Manual Xrefs Databases
5SD PDBeChem
C00674 KEGG COMPOUND
CPD-342 MetaCyc
DB01561 DrugBank
HMDB0000899 HMDB
LMST02020085 LIPID MAPS
View more database links
Registry Numbers Types Sources
2218898 Reaxys Registry Number Reaxys
846-46-8 CAS Registry Number KEGG COMPOUND
846-46-8 CAS Registry Number NIST Chemistry WebBook
846-46-8 CAS Registry Number ChemIDplus
Citations Types Sources
22064602 PubMed citation Europe PMC
3702464 PubMed citation Europe PMC
Last Modified
16 September 2021